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	hartrees
Energy at 0K	-840.317751
Energy at 298.15K
HF Energy	-839.930907
Nuclear repulsion energy	397.204993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	758	758	0.00	17.53	0.00	0.00
2	A₁'	644	644	0.00	2.03	0.72	0.84
3	A₂"	950	950	385.67	0.00	0.75	0.86
4	A₂"	523	523	49.11	0.00	0.75	0.86
5	E'	989	989	256.80	0.99	0.75	0.86
5	E'	989	989	256.78	1.00	0.75	0.86
6	E'	485	485	38.78	0.54	0.75	0.86
6	E'	485	485	38.82	0.54	0.75	0.86
7	E'	160	160	0.16	0.30	0.75	0.86
7	E'	159	159	0.17	0.30	0.75	0.86
8	E"	458	458	0.00	0.85	0.75	0.86
8	E"	458	458	0.00	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.585	0.000
F3	1.372	-0.792	0.000
F4	-1.372	-0.792	0.000
F5	0.000	0.000	1.618
F6	0.000	0.000	-1.618

	P1	F2	F3	F4	F5	F6
P1		1.5846	1.5846	1.5846	1.6181	1.6181
F2	1.5846		2.7446	2.7446	2.2648	2.2648
F3	1.5846	2.7446		2.7446	2.2648	2.2648
F4	1.5846	2.7446	2.7446		2.2648	2.2648
F5	1.6181	2.2648	2.2648	2.2648		3.2362
F6	1.6181	2.2648	2.2648	2.2648	3.2362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	120.000	F2	P1	F4	120.000
F2	P1	F5	90.000	F2	P1	F6	90.000
F3	P1	F4	120.000	F3	P1	F5	90.000
F3	P1	F6	90.000	F4	P1	F5	90.000
F4	P1	F6	90.000	F5	P1	F6	180.000

All results from a given calculation for PF₅ (Phosphorus pentafluoride)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for PF5 (Phosphorus pentafluoride)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for PF₅ (Phosphorus pentafluoride)